Information card for entry 4062379

Structure parameters

• Formula: C36 H40 B Cl N6 Ni
• Calculated formula: C36 H40 B Cl N6 Ni
• SMILES: [Ni]12(Cl)[n]3[n]([BH]([n]4[n]1c(cc4)c1c(cc(cc1C)C)C)[n]1[n]2c(cc1)c1c(cc(cc1C)C)C)ccc3c1c(cc(cc1C)C)C
• Title of publication: Highly Selective Nickel Ethylene Oligomerization Catalysts Based on Sterically Hindered Tris(pyrazolyl)borate Ligands
• Authors of publication: Kunrath, Fábio A.; de Souza, Roberto F.; Casagrande, Jr., Osvaldo L.; Brooks, Neil R.; Young, Victor G.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 4739 - 4743
• a: 9.1756 ± 0.001 Å
• b: 10.9562 ± 0.0012 Å
• c: 17.497 ± 0.002 Å
• α: 102.601 ± 0.002°
• β: 97.437 ± 0.002°
• γ: 95.017 ± 0.002°
• Cell volume: 1690 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No